Compound Detail
CHEMBL3972318
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CC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C)cc3)c3ccccc23)ccn1
Basic Information
| ChEMBL ID | CHEMBL3972318 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MPFNOCFGLHYSEQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
548.6
MW (Da)
7.42
ALogP
6
HBA
3
HBD
110.2
PSA (Ų)
0.20
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 8.17 | 8.17 | 6.7 | 1 |
| Mitogen-activated protein kinase 12 CHEMBL4674 | IC50 | 6.84 | 6.84 | 146.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 6.7 | nM | 8.17 | Fluorescence Resonance Energy Transfer (FRET) Assay: The enzyme inhibitory activ... | - |
| Mitogen-activated protein kinase 12 | IC50 | = | 146.0 | nM | 6.84 | Fluorescence Resonance Energy Transfer (FRET) Assay: The enzyme inhibitory activ... | - |
Data from ChEMBL 36 via Core Engine